CID 82231974

7-bromo-2-ethyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CCC1CNC2=C(O1)C=C(C=C2)Br
InChI
InChI=1S/C10H12BrNO/c1-2-8-6-12-9-4-3-7(11)5-10(9)13-8/h3-5,8,12H,2,6H2,1H3
InChIKey
UGBGNBQFHBHMPG-UHFFFAOYSA-N
Compound name
7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.01022 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 146.2
[M+Na]+ 263.999438 156.9
[M-H]- 240.002944 151.0
[M+NH4]+ 259.044043 165.5
[M+K]+ 279.973378 146.4
[M+H-H2O]+ 224.007480 146.1
[M+HCOO]- 286.008421 161.7
[M+CH3COO]- 300.024071 160.1
[M+Na-2H]- 261.984886 154.6
[M]+ 241.00967142 162.6
[M]- 241.01076858 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe